[2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine

C17H28N2 — CID 67366481

IUPAC[2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine
SMILESCC(C)c1cccc(C(C)C)c1C(N)C1CCCN1
InChIInChI=1S/C17H28N2/c1-11(2)13-7-5-8-14(12(3)4)16(13)17(18)15-9-6-10-19-15/h5,7-8,11-12,15,17,19H,6,9-10,18H2,1-4H3
InChIKeyOQDXQLASDODWTK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.69
Rot. Bonds4

About [2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine

[2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine (PubChem CID 67366481) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine
PubChem CID67366481
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine
SMILESCC(C)c1cccc(C(C)C)c1C(N)C1CCCN1
InChIInChI=1S/C17H28N2/c1-11(2)13-7-5-8-14(12(3)4)16(13)17(18)15-9-6-10-19-15/h5,7-8,11-12,15,17,19H,6,9-10,18H2,1-4H3
InChIKeyOQDXQLASDODWTK-UHFFFAOYSA-N
XLogP3.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709
N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
(2S)-2-(Diphenylmethyl)pyrrolidine
CID 2734053
Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-amine
CID 44578367
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
cis-Methyl-(4-phenyl-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-amine
CID 13457435
2-(3-benzylpyrrolidin-1-yl)-N-methylethanamine
CID 67739618
(2-Amino-2-phenylethyl)diethylamine
CID 4961986
2-Phenyl-2-(pyrrolidin-1-yl)ethan-1-amine
CID 4992130
2-(4-Methylphenyl)pyrrolidine
CID 3563134

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine?
The IUPAC name of [2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine (CID 67366481) is [2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine is CC(C)c1cccc(C(C)C)c1C(N)C1CCCN1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine?
The InChIKey is OQDXQLASDODWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-11(2)13-7-5-8-14(12(3)4)16(13)17(18)15-9-6-10-19-15/h5,7-8,11-12,15,17,19H,6,9-10,18H2,1-4H3.
What are the key properties of [2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine?
[2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl]-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 67366481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).